#METABOLOMICS WORKBENCH boudreaulab_20240605_081632 DATATRACK_ID:4902 STUDY_ID:ST003248 ANALYSIS_ID:AN005320 PROJECT_ID:PR002016
VERSION             	1
CREATED_ON             	June 7, 2024, 4:09 pm
#PROJECT
PR:PROJECT_TITLE                 	Effects of mitoregulin loss on cardiac and mitochondrial lipids in mice
PR:PROJECT_SUMMARY               	We and others discovered a highly-conserved mitochondrial transmembrane
PR:PROJECT_SUMMARY               	microprotein, named Mitoregulin (Mtln), that supports lipid metabolism. We
PR:PROJECT_SUMMARY               	reported that Mtln strongly binds cardiolipin (CL), increases mitochondrial
PR:PROJECT_SUMMARY               	respiration and Ca2+ retention capacities, and reduces reactive oxygen species
PR:PROJECT_SUMMARY               	(ROS). Here we extend our observation of Mtln-CL binding and examine Mtln
PR:PROJECT_SUMMARY               	influence on cristae structure and mitochondrial membrane integrity during
PR:PROJECT_SUMMARY               	stress. We demonstrate that mitochondria from constitutive- and inducible
PR:PROJECT_SUMMARY               	Mtln-knockout (KO) mice are susceptible to membrane freeze-damage and that this
PR:PROJECT_SUMMARY               	can be rescued by acute Mtln re-expression. In mitochondrial-simulated lipid
PR:PROJECT_SUMMARY               	monolayers, we show that synthetic Mtln decreases lipid packing and monolayer
PR:PROJECT_SUMMARY               	elasticity. Lipidomics revealed that Mtln-KO heart tissues show broad decreases
PR:PROJECT_SUMMARY               	in 22:6-containing lipids and increased cardiolipin damage/remodeling. Lastly,
PR:PROJECT_SUMMARY               	we demonstrate that Mtln-KO mice suffer worse myocardial ischemia-reperfusion
PR:PROJECT_SUMMARY               	injury, hinting at a translationally-relevant role for Mtln in cardioprotection.
PR:PROJECT_SUMMARY               	Our work supports a model in which Mtln binds cardiolipin and stabilizes
PR:PROJECT_SUMMARY               	mitochondrial membranes to broadly influence diverse mitochondrial functions,
PR:PROJECT_SUMMARY               	including lipid metabolism, while also protecting against stress.
PR:INSTITUTE                     	University of Iowa
PR:LAST_NAME                     	Boudreau
PR:FIRST_NAME                    	Ryan
PR:ADDRESS                       	4334 PBDB, 169 Newton Rd, Iowa City, IA 52242
PR:EMAIL                         	ryan-boudreau@uiowa.edu
PR:PHONE                         	3193535573
#STUDY
ST:STUDY_TITLE                   	Effects of acute mitoregulin loss on cardiac mitochondrial lipids in mice
ST:STUDY_SUMMARY                 	Cardiac mitochondrial lipidome analysis in 7-week-old male aMHC-Cas9 transgenic
ST:STUDY_SUMMARY                 	mice, harvested at 4 weeks post-injection with either AAV:guMtln (sgRNAs to
ST:STUDY_SUMMARY                 	delete Mtln) or AAV:GFP control.
ST:INSTITUTE                     	University of Iowa
ST:LAST_NAME                     	Boudreau
ST:FIRST_NAME                    	Ryan
ST:ADDRESS                       	4334 PBDB, 169 Newton Rd, Iowa City, IA 52242
ST:EMAIL                         	ryan-boudreau@uiowa.edu
ST:PHONE                         	3193535573
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#FACTORS
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	3058-1	Genotype:acute ko | Sample source:cardiac mitochondria	RAW_FILE_NAME(Raw file name  POS mode)=6545A_20211117_24_+_1.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545A_20211116_21_-_1.mzML
SUBJECT_SAMPLE_FACTORS           	-	3058-2	Genotype:acute ko | Sample source:cardiac mitochondria	RAW_FILE_NAME(Raw file name  POS mode)=6545A_20211117_15_+_2.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545A_20211116_31_-_2.mzML
SUBJECT_SAMPLE_FACTORS           	-	3058-3	Genotype:cntrl | Sample source:cardiac mitochondria	RAW_FILE_NAME(Raw file name  POS mode)=6545A_20211117_14_+_3.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545A_20211116_27_-_3.mzML
SUBJECT_SAMPLE_FACTORS           	-	3058-4	Genotype:cntrl | Sample source:cardiac mitochondria	RAW_FILE_NAME(Raw file name  POS mode)=6545A_20211117_35_+_4.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545A_20211116_38_-_4.mzML
SUBJECT_SAMPLE_FACTORS           	-	3097-1	Genotype:cntrl | Sample source:cardiac mitochondria	RAW_FILE_NAME(Raw file name  POS mode)=6545A_20211117_21_+_5.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545A_20211116_23_-_5.mzML
SUBJECT_SAMPLE_FACTORS           	-	3097-3	Genotype:acute ko | Sample source:cardiac mitochondria	RAW_FILE_NAME(Raw file name  POS mode)=6545A_20211117_32_+_6.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545A_20211116_36_-_6.mzML
SUBJECT_SAMPLE_FACTORS           	-	3097-4	Genotype:acute ko | Sample source:cardiac mitochondria	RAW_FILE_NAME(Raw file name  POS mode)=6545A_20211117_40_+_7.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545A_20211116_18_-_7.mzML
SUBJECT_SAMPLE_FACTORS           	-	3109-1	Genotype:acute ko | Sample source:cardiac mitochondria	RAW_FILE_NAME(Raw file name  POS mode)=6545A_20211117_38_+_8.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545A_20211116_11_-_8.mzML
SUBJECT_SAMPLE_FACTORS           	-	3109-2	Genotype:cntrl | Sample source:cardiac mitochondria	RAW_FILE_NAME(Raw file name  POS mode)=6545A_20211117_10_+_9.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545A_20211116_43_-_9.mzML
SUBJECT_SAMPLE_FACTORS           	-	3109-3	Genotype:acute ko | Sample source:cardiac mitochondria	RAW_FILE_NAME(Raw file name  POS mode)=6545A_20211117_17_+_10.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545A_20211116_41_-_10.mzML
SUBJECT_SAMPLE_FACTORS           	-	3116-1	Genotype:cntrl | Sample source:cardiac mitochondria	RAW_FILE_NAME(Raw file name  POS mode)=6545A_20211117_30_+_11.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545A_20211116_28_-_11.mzML
SUBJECT_SAMPLE_FACTORS           	-	3116-2	Genotype:cntrl | Sample source:cardiac mitochondria	RAW_FILE_NAME(Raw file name  POS mode)=6545A_20211117_18_+_12.mzML; RAW_FILE_NAME(Raw file name  NEG mode)=6545A_20211116_39_-_12.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Mitochondria were isolated from hearts of 6 AAV9:GFP injected and 6 AAV9:guMtln
CO:COLLECTION_SUMMARY            	injected aMHC-Cas9 transgenic mice at approximately 7 weeks of age (4 weeks post
CO:COLLECTION_SUMMARY            	AAV injection) and mitochondrial pellets stored at -80. Protein content of
CO:COLLECTION_SUMMARY            	mitochondrial pellets was determined by BCA assay of distinct, paired pellets
CO:COLLECTION_SUMMARY            	(collected from the same homogenate), after detergent solubilization.
CO:SAMPLE_TYPE                   	Heart
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Mitochondria were isolated from hearts of 6 AAV9:GFP injected and 6 AAV9:guMtln
SP:SAMPLEPREP_SUMMARY            	injected aMHC-Cas9 transgenic mice at approximately 7 weeks of age (4 weeks post
SP:SAMPLEPREP_SUMMARY            	AAV injection) and mitochondrial pellets stored at -80. Protein content of
SP:SAMPLEPREP_SUMMARY            	mitochondrial pellets was determined by BCA assay of distinct, paired pellets
SP:SAMPLEPREP_SUMMARY            	(collected from the same homogenate), after detergent solubilization.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Positive Mode RP LCMS
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity
CH:COLUMN_NAME                   	Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um)
CH:SOLVENT_A                     	40% water/60% acetonitrile; 0.1% formic acid; 10 mM ammonium formate
CH:SOLVENT_B                     	90% isopropanol/9% acetonitrile/1% water; 0.1% formic acid; 10 mM ammonium
CH:SOLVENT_B                     	formate
CH:FLOW_GRADIENT                 	Started at 15% mobile phase B then increased to 30% B over 2.4 min. It
CH:FLOW_GRADIENT                 	sequentially increased to 48% B from 2.4 – 3.0 min, 82% B from 3 – 13.2 min,
CH:FLOW_GRADIENT                 	and 99% B from 13.2 – 13.8 min where it’s held until 16.7 min and returned
CH:FLOW_GRADIENT                 	to the initial conditions and equilibrated for 5 min.
CH:FLOW_RATE                     	0.4 mL min
CH:COLUMN_TEMPERATURE            	65
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6545 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	For positive mode, the source gas temperature was set to 225 °C, with a drying
MS:MS_COMMENTS                   	gas flow of 11 L/minute, nebulizer pressure of 40 psig, sheath gas temp of 350
MS:MS_COMMENTS                   	°C and sheath gas flow of 11 L/minute. VCap voltage is set at 3500 V, nozzle
MS:MS_COMMENTS                   	voltage 500V, fragmentor at 110 V, skimmer at 85 V and octopole RF peak at 750
MS:MS_COMMENTS                   	V. For data processing, Agilent MassHunter (MH) Workstation and software
MS:MS_COMMENTS                   	packages MH Qualitiative and MH Quantitative were used. The pooled QC (n=8) and
MS:MS_COMMENTS                   	process blank (n=4) were injected throughout the sample queue to ensure the
MS:MS_COMMENTS                   	reliability of acquired lipidomics data. For lipid annotation, accurate mass and
MS:MS_COMMENTS                   	MS/MS matching was used with the Agilent Lipid Annotator library. Results from
MS:MS_COMMENTS                   	the positive and negative ionization modes from Lipid Annotator were merged
MS:MS_COMMENTS                   	based on the class of lipid identified. Data exported from MH Quantitative was
MS:MS_COMMENTS                   	evaluated using Excel where initial lipid targets are parsed based on the
MS:MS_COMMENTS                   	following criteria. Only lipids with relative standard deviations (RSD) less
MS:MS_COMMENTS                   	than 30% in QC samples are used for data analysis. Additionally, only lipids
MS:MS_COMMENTS                   	with background AUC counts in process blanks that are less than 30% of QC are
MS:MS_COMMENTS                   	used for data analysis. The parsed excel data tables are normalized based on the
MS:MS_COMMENTS                   	ratio to class-specific internal standards, then to sum prior to statistical
MS:MS_COMMENTS                   	analysis.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	pmol lipid per mg tissue
MS_METABOLITE_DATA_START
Samples	3058-1	3058-2	3097-3	3097-4	3109-1	3109-3	3058-3	3058-4	3097-1	3109-2	3116-1	3116-2
Factors	Genotype:acute ko | Sample source:cardiac mitochondria	Genotype:acute ko | Sample source:cardiac mitochondria	Genotype:acute ko | Sample source:cardiac mitochondria	Genotype:acute ko | Sample source:cardiac mitochondria	Genotype:acute ko | Sample source:cardiac mitochondria	Genotype:acute ko | Sample source:cardiac mitochondria	Genotype:cntrl | Sample source:cardiac mitochondria	Genotype:cntrl | Sample source:cardiac mitochondria	Genotype:cntrl | Sample source:cardiac mitochondria	Genotype:cntrl | Sample source:cardiac mitochondria	Genotype:cntrl | Sample source:cardiac mitochondria	Genotype:cntrl | Sample source:cardiac mitochondria
CAR 14:0	8.465154323	7.242310051	5.497176245	4.695363696	7.903699162	6.764831044	7.714817899	8.588442169	5.30279771	7.413620533	10.01668922	6.738461969
CAR 16:0	36.59848302	32.2676787	29.70280719	24.55485276	54.1999297	38.50894222	29.49501456	30.31109423	28.48889462	30.35763193	47.63336987	33.03231251
CAR 18:0	15.76416534	13.73522528	12.92021447	10.186441	18.55600918	14.0356403	11.2878796	12.53849561	13.76060834	16.29129873	20.03056368	13.01505395
CAR 18:1	13.95240867	12.66872379	10.64986713	10.21652051	19.86926304	14.05036854	11.86766796	10.5784374	9.63551856	12.90979892	19.47910472	12.62543023
CAR 18:2	11.43913023	11.26689361	8.396380089	6.76256734	16.76696543	11.99225423	10.1886511	8.615933232	6.686887956	11.71547048	13.88576078	10.8910351
BMP 18:1_22:6	51.06978128	26.15498952	33.22999984	32.37775717	36.85505368	37.82800391	38.3970527	30.12939111	43.29888161	43.46495422	46.55016566	37.8027072
BMP 18:2_22:6	48.30465765	31.56243178	45.45926375	45.5938157	42.93587787	50.49679785	47.86221999	43.69689538	43.06567446	42.87919721	43.90166415	50.11973226
BMP 22:6_22:6	50.22699069	31.24993495	63.40942597	43.91993154	44.12888442	63.80863745	45.57382602	44.96059598	56.87170288	43.64641219	45.59821223	48.55758005
Cer 17:1;O2/16:0	0.805938988	0.79573532	0.773122294	0.56545559	1.016760398	0.911936218	0.718788744	0.760535555	0.625105212	0.665864975	0.939529776	0.830670195
Cer 18:0;O2/18:1	0.395112147	0.482200637	0.520903905	0.364364754	0.342485232	0.587035285	0.419157062	0.543421839	0.53016158	0.617117002	0.46404777	0.566988341
Cer 18:0;(OH)2/24:0	4.263541024	4.107244827	3.8597381	4.271479874	4.266725063	5.504277471	4.55579818	5.206236688	5.309129946	4.70507324	4.273676558	4.47095718
Cer 18:0;O2/24:1	2.889503185	2.370478588	2.551325692	2.454624818	2.495927107	2.74359671	2.938569132	2.698506828	2.319285836	2.879093412	2.155991829	2.756393841
Cer 18:1;O2/16:0	22.43552057	20.37159022	18.41209681	18.61503337	27.01066042	29.93207018	21.95305117	18.53857189	22.07110193	18.47221398	23.33124096	25.73217543
Cer 18:1;O2/17:0	3.075375579	2.792669519	2.214069624	2.293679442	2.644160307	2.540371278	2.944751259	2.588518139	4.438427187	2.069402914	4.211798176	3.23450365
Cer 18:1;O2/18:0	40.97448105	23.84856504	32.22481439	34.11820354	27.40566888	27.5513324	32.31624275	31.21915467	74.3415946	18.08152916	71.56092343	32.84631838
Cer 18:1;O2/18:1	9.066241875	7.033131307	8.856667239	8.364889989	8.817966728	8.760122115	8.194233277	7.753268536	12.24963121	5.489120879	9.161543252	10.20109908
Cer 18:1;O2/19:0	10.91035782	6.905151254	7.120570743	7.116372672	6.701396284	6.692384206	8.491341259	7.739386059	10.88793181	5.475954739	12.45411009	7.821249499
Cer 18:1;O2/20:0	212.2337718	153.7820028	157.3816663	140.5966872	160.3834359	161.3129358	193.8514433	180.2977653	194.0722204	123.3013034	240.9130163	179.2206969
Cer 18:1;O2/21:0	20.00252981	12.9638309	13.18196215	13.241103	15.05091169	13.90115121	15.52482515	15.81398996	18.25594724	10.53389767	20.49904498	13.80648868
Cer 18:1;O2/22:0	100.2815455	67.98430194	72.8993606	65.00091109	78.61914938	76.32993495	86.70139813	87.11976918	99.80623584	62.87448758	110.6330565	76.42264028
Cer 18:1;O2/22:1	10.52743144	7.756351276	7.78277003	7.805213873	8.300338651	8.476768496	8.966074721	8.888179323	8.189484245	6.601743755	9.134993185	8.655230217
Cer 18:1;O2/22:2	2.266633095	1.542286641	1.836915276	1.699569431	1.834218185	2.031816321	2.156561287	2.108460676	1.759011888	1.287861066	2.044448231	1.908938681
Cer 18:1;O2/23:0	46.05339932	34.19025912	32.90164907	30.19987401	36.63223913	37.28630062	37.90875212	37.88268342	51.49306184	32.14486257	52.84390469	34.35820816
Cer 18:1;O2/24:0	56.03807021	41.89709964	41.73685106	41.12232317	47.5289621	49.40654009	49.29850836	48.21662012	65.04421529	43.1048778	67.74715753	48.28097041
Cer 18:1;O2/24:1	52.81325433	40.78328962	42.78597866	46.38150303	50.50461744	51.1729192	44.39282979	47.42581249	58.93457302	38.84149366	68.20495172	52.70771554
Cer 18:1;O2/24:2	25.5676023	18.18182195	20.64292641	20.86812185	22.21006564	22.72791694	21.61883858	22.05673059	28.35924635	16.54447523	28.00324563	24.31908508
Cer 18:2;O2/16:0	0.899992334	0.311039364	0.91448308	0.94187684	1.002945655	1.034682876	0.972550526	0.617836242	0.796316978	0.407165757	0.65215673	0.977683157
Cer 18:2;O2/18:0	8.877593198	6.914467691	8.68529962	8.194526193	8.650814471	8.76356205	8.02349745	7.762606418	12.02642624	5.49198516	8.969350136	9.978485932
Cer 18:2;O2/20:0	52.66038715	29.78969526	32.88011488	30.47478969	30.94420151	30.30756966	38.5352587	39.71633099	31.52809268	20.82779611	37.63478047	35.5535399
Cer 18:2;O2/22:0	60.44842002	37.8941673	42.6139887	37.35622872	44.29075018	44.55567279	52.47752528	52.22539268	42.39975261	34.56888149	41.08910546	46.15475233
Cer 18:2;O2/23:0	23.97881106	17.78931019	19.34795025	16.78391729	19.56201841	20.38442159	20.76417946	22.48435937	20.58647394	17.33539852	17.26733856	21.09707463
Cer 18:2;O2/24:0	54.57941606	42.11216856	44.29002928	48.14478548	52.19253984	51.09187623	45.83843236	47.34201623	60.63009798	38.78856051	69.8336324	54.44250148
Cer 18:2;O2/24:1	24.99120403	17.76892346	20.19763674	20.70541447	21.78199262	22.19347602	21.37611561	21.64627211	28.30323624	16.16852626	27.54007394	23.79406386
Cer 18:2;O2/24:2	2.931717392	2.25492321	2.697567933	2.95311051	2.505728938	2.810071101	3.163317869	2.26927387	4.050651758	1.865527407	3.789902369	2.843775924
Cer 41:2;O2	4.292076067	3.249634716	3.246973181	3.31137709	3.885947047	3.177187021	4.025959695	4.06318723	4.388974111	2.632709902	4.022305752	3.638263734
CL 32:2_36:3	46.13083689	43.09255314	50.06754034	49.36141328	48.45500805	58.37278837	52.48091976	45.79067413	82.01242192	51.67419535	73.37440992	58.1243485
CL 14:0_18:2_18:2_18:2	89.05802479	73.94834199	81.57375308	82.25155853	72.82085875	84.14297002	92.79735354	89.52421528	124.0966409	82.32927233	117.7856509	90.00533884
CL 34:1_34:1	66.42254156	37.56332741	36.85050969	55.90303001	57.79086466	35.75752278	50.45230161	35.60443095	111.3225447	45.80331764	103.8409709	62.7203193
CL 16:0_18:1_16:0_18:2	56.08137771	39.86928956	39.93206851	46.03621308	48.77192062	40.7277047	48.31589883	39.60558714	91.07870643	48.5846777	101.2710384	54.89025336
CL 34:1_36:2	23.72105029	11.11291368	12.27988607	16.17561515	18.39051572	13.43396018	15.65627655	10.88691977	36.2399312	15.44141015	43.0350678	19.1524947
CL 34:1_36:3	135.8494912	91.14863722	104.5005123	128.5066793	101.7800543	89.57162388	107.7007313	88.39880412	231.2011357	97.79753482	234.719318	124.6616924
CL 34:1_38:6	39.40490952	42.13040946	39.30340789	34.8838114	41.68830092	48.26509668	50.60547282	38.68521787	45.68082028	46.94488817	41.36145219	51.7842709
CL 34:2_34:2	28.38305896	26.06821315	26.73971822	25.6685489	32.69483372	34.41781011	33.14929465	27.18273849	44.54499152	34.43777587	43.52624795	37.62245547
CL 16:0_18:2_18:1_18:2	234.0741797	235.7070426	256.9491159	250.3664273	269.1532394	295.9010049	274.2106067	235.0453643	350.3763975	271.8193406	314.7208935	324.2348103
CL 34:2_36:4	268.6473179	258.8312412	285.2213091	274.1455119	317.7298204	377.3842936	302.2520894	277.6369402	400.3447206	312.4358014	339.9020375	362.1976598
CL 16:1_18:2_18:2_18:2	430.8301723	382.2368625	408.3913566	414.5674618	392.6368869	427.1412964	437.6931329	457.4269381	568.8725256	402.5997386	487.8656845	542.0264251
CL 34:3_40:8	109.1094565	81.86620158	86.43159132	94.65321312	80.54847188	99.97607981	117.0052121	109.6511246	171.1346299	95.2241741	147.4435225	84.85480259
CL 36:1_36:3	15.26212248	7.243430532	8.39833897	10.66527772	11.06233702	10.05858878	10.63240514	7.086634759	18.67617229	9.167479102	20.93213316	11.87144746
CL 36:2_36:3	126.7935947	76.41811549	103.412148	126.8584461	87.53632912	90.57986101	104.0456219	73.35834026	185.2351925	75.68619417	174.3667469	104.4099626
CL 36:3_36:3	1632.826099	1677.588132	1915.808092	1913.891542	1815.955395	2168.094031	1922.377433	1685.400355	2298.437065	1823.339678	2050.396433	2179.555419
CL 18:1_18:2_18:2_18:2	5841.438076	6334.227899	6285.213941	5967.794888	7328.868151	8474.674391	7283.751002	6303.883679	6116.914102	7383.240614	5811.038176	8409.271389
CL 36:3_36:6	14.93210057	16.29775504	17.0512982	15.04805762	15.89046634	21.16960083	20.96811433	14.70949578	22.23310313	17.52655618	18.81793325	17.17879672
CL 36:3_38:3	106.1834711	66.26613764	66.44092404	82.63223227	75.35072536	67.37610708	86.27373993	65.08289684	95.34363986	68.28375912	120.3587891	81.79990799
CL 36:3_38:4	747.7043402	751.855311	802.5292741	817.1976379	791.433688	926.7878418	911.8979609	747.5651118	910.2444191	837.4643369	897.0283205	907.322375
CL 36:3_38:6	54.49854867	65.05059716	63.95042717	54.30110895	61.47793432	86.67382053	84.90568932	52.57270167	71.12403793	70.27450085	59.28479232	70.57659884
CL 36:3_40:7	179.4160027	158.782258	205.6129342	202.8566426	173.3550337	252.5307193	214.3116496	153.4851358	253.137452	175.7474088	207.0244983	174.708023
CL 18:1_18:2_18:2_22:6	1588.77305	1563.212575	1640.409717	1607.554195	1839.54509	2320.761721	1984.997134	1577.677096	1962.123062	1881.265528	1862.240304	1684.365146
CL 36:3_42:7	12.09830538	7.451635039	7.87527934	9.445028028	9.075742347	9.181761179	11.60455055	7.598372141	12.94816295	8.637761802	12.97381356	8.457620061
CL 18:2_18:2_18:2_18:2	10314.95774	11544.96257	10390.36319	9889.808889	13282.9919	15007.75316	13114.31627	11388.51439	8915.964299	13608.27785	8747.059146	15980.39054
CL 18:2_18:2_18:2_20:2	1986.278248	2029.05666	2289.774679	2248.753838	2322.726497	2722.534255	2483.583387	2117.092571	2312.418584	2579.840482	2273.594341	2663.391769
CL 18:2_18:2_18:2_22:6	4956.337944	4871.04376	4511.68611	4482.943596	5306.726351	6221.246495	5986.657716	5264.025941	4780.023415	5774.656927	4811.40727	5222.112249
CL 38:3_40:8	82.19103262	62.06736939	76.27214401	81.67187443	64.25276911	83.8842634	93.23910228	71.23301011	105.3751348	75.71619686	111.8208577	58.941391
CL 38:4_38:4	75.16653885	59.37431561	80.81074207	90.78509834	68.59632123	76.52416294	89.39849013	63.73614921	119.9361582	80.04020593	112.2486388	74.02281486
CL 38:4_40:8	423.5043076	370.549169	455.8836494	474.7562793	423.8052228	536.4923352	512.9624752	411.6550635	593.2737476	522.2289063	609.6009883	371.8171475
CL 38:5_40:8	421.1170962	340.0695231	363.0916615	374.1566596	340.8045191	441.3043722	499.8235685	436.9319524	421.36831	444.1231313	451.6944403	308.1778782
CL 38:7_40:8	3.401873094	2.710043836	3.099013999	2.954606552	2.999196062	4.322783417	4.234177091	3.257345921	6.113093824	3.806637154	5.572813623	2.44478673
CL 40:6_40:8	22.54767862	21.1960981	24.99011305	22.74376261	26.53868628	35.91707588	31.2073324	20.70954069	28.15755815	28.48474116	29.05488306	24.35962147
CL 40:7_40:8	95.20224151	73.60495632	90.2276743	91.25767318	78.61077809	117.4926309	109.5161846	81.71906373	125.349209	91.53568574	125.5497048	70.28689926
CL 40:8_40:8	410.2917762	269.1992239	262.6253247	303.5119798	264.8484086	363.4461884	452.1186092	380.7751799	496.7915906	387.4958548	539.3782447	164.8014253
CL 40:8_40:9	1.708707331	1.385531436	1.508250152	1.558487246	1.865086672	2.265187575	2.098411198	1.663367776	2.065381675	1.882164086	2.056245228	1.64616462
CL 40:8_42:10	1.396434901	0.949099725	1.487031497	1.379679654	1.130476953	2.08731994	1.796791096	1.090831757	2.274045761	1.42981541	2.471397785	1.034150597
CL 40:8_42:8	13.93152134	12.01628616	16.56108633	17.43546124	14.47819216	21.76643875	19.16892931	13.09786002	24.13617892	18.5500208	25.02574179	11.85205467
CL 40:8_42:9	22.11087757	14.17330007	16.11255997	19.29489907	16.38646366	19.94355348	24.47414513	20.1684366	25.25598514	20.61891689	28.7254519	11.83779852
CL 40:8_44:12	3.9285024	3.094852425	3.692534629	3.654432718	3.81638476	6.270230054	4.788836658	3.888621562	5.041329532	5.118832177	5.657429612	3.06090581
Co Q10	2005.758414	1143.755176	1017.892087	1304.023675	1316.635742	1366.615681	1335.552573	1388.615936	1610.048923	1709.571834	1518.972186	1494.926788
Co Q8	165.8713704	82.61464175	69.28982116	85.15007071	89.6971573	88.14230173	109.2140104	111.0096864	170.0647514	99.95472282	217.8628966	95.12067172
Co Q9	13290.29398	8232.976726	7149.705866	8664.966786	10051.46721	9671.869545	10446.90712	9941.588258	11054.00728	11649.50692	11821.53331	10756.84116
DG 16:0_22:5	676.4413889	591.8857935	440.2310807	583.3118961	486.0081053	444.5822155	554.4993982	599.1709547	646.4663582	478.1187752	915.3904489	650.4291708
DG 16:0_22:6	1912.828181	1874.355953	1498.319699	1641.710518	1608.985284	1496.22326	1813.278774	1870.359865	2254.859543	1650.408082	2975.673062	2126.085914
DG 18:0_20:4	1256.219522	980.2383279	1035.497331	834.125745	1021.486308	1013.765282	924.5051398	854.4227998	1097.274403	937.9686822	1248.177416	995.031041
DG 18:0_22:5	425.7255322	405.2757732	354.3205028	339.6143982	391.6538887	425.6150571	371.4508308	386.0404043	344.2105773	401.479942	539.7776733	478.2307389
DG 18:0_22:6	754.8684257	656.7186755	671.6934222	644.0730094	714.4384452	711.598919	687.9948541	648.2624943	901.5003762	750.739252	1167.82133	855.5037345
DG 18:1_18:1	1264.959723	804.9885153	648.989596	838.9923974	904.353925	804.3642385	752.6615839	801.819267	944.974307	676.4904343	1480.719243	1101.867942
DG 18:1_18:2	3803.70008	2181.80252	1640.321963	2135.812038	2001.401328	1879.011058	2140.468844	2215.526866	2564.997744	1556.963886	4804.318178	2780.632994
DG 18:1_22:5	941.6787732	801.9433005	709.3423547	798.3200401	743.311441	757.7831111	724.5397327	911.3108376	928.4694637	801.8154608	1401.849145	1010.987585
DG 18:1_22:6	1542.354661	1289.931277	1419.013267	1301.068334	1387.232077	1338.839585	1487.314041	1521.33864	2063.633403	1408.336483	2638.234978	1799.978104
DG 18:2_18:2	5694.180836	4410.570214	3329.855806	3579.723078	3775.153298	3754.356547	4575.99572	3990.798153	3764.220559	3155.663695	6784.722308	5363.374169
DG 18:2_20:2	503.1362183	404.6159269	354.5191548	358.1041804	431.3014016	475.0831351	402.4269333	468.6949449	394.3433803	472.3799332	729.0523657	546.0288932
DG 18:2_22:5	1210.383098	1255.012641	1039.373212	1013.228672	1234.212475	1292.056057	1227.679748	1322.040789	1031.37645	1428.204052	1519.906172	1691.679629
DG 18:2_22:6	1013.711778	1115.740696	1191.768186	861.2210989	1569.143865	1548.847587	1237.248201	1181.897743	1014.155841	1523.370399	1234.287203	1660.984736
DG 20:3_22:6	201.0810443	206.5007554	233.7715291	193.3221699	222.7054903	289.8001682	213.5838422	258.9742123	230.7035182	291.7480529	334.1635544	287.1726435
DG 22:4_22:6	469.566294	467.0714806	569.572355	469.1904874	571.1192737	647.0724478	488.2382553	544.3323617	531.8538508	651.1216117	572.0683649	606.7803062
DG 22:6_22:6	370.3398933	310.538033	576.3961165	340.6850509	485.3871376	495.6053151	441.949904	508.7350934	601.8415536	539.4794381	584.9916355	550.2800083
PC P-22:6/22:6	13.31315652	13.85615558	13.77732791	13.31112096	15.88342589	18.77152115	15.6826162	13.55662361	17.37451958	17.90951036	15.14128818	18.23417144
HBMP 16:0_18:2_18:1	256.6202712	261.0917539	309.8232003	288.2599622	310.8041905	320.398078	259.6617081	254.1222179	271.0907286	335.7412714	262.5179896	352.3846486
Hex2Cer 18:1;O2/20:0	5.21575423	3.881099427	3.769820706	3.812589387	4.464153904	4.384313079	4.388564732	3.998057427	4.089345516	3.665985183	4.882114424	3.857969054
Hex2Cer 18:1;O2/22:0	4.596617898	3.045632293	3.292680056	3.537701986	4.411227464	3.469817058	3.376127387	3.640238777	3.523224428	3.512456664	4.004297845	3.969497535
Hex2Cer 18:1;O2/24:0	2.070703223	1.600873963	1.706028448	1.727242971	2.479173732	1.88518223	1.883640834	1.573918678	2.141381603	2.329510921	1.960273303	2.062071765
Hex2Cer 18:1;O2/24:1	1.803913643	1.095546797	1.462505401	1.607598057	1.99298782	1.787901659	1.438795867	1.377116187	1.627805626	1.339930802	1.951974236	1.788480278
HexCer 18:0;OH/18:0	0.34205061	0.53173564	0.392646677	0.277801547	0.46146767	0.234646946	0.312295035	0.122700741	0.191163601	0.274743261	0.282467848	0.394446093
HexCer 18:0;OH/22:0	0.306988037	0.248796815	0.206916174	0.093045453	0.169765342	0.289488312	0.44439957	0.43445542	0.147020181	0.313043428	0.351920721	0.342174822
HexCer 18:1;O2/16:0	2.703713606	2.671156176	2.703468022	2.509241991	4.124996202	4.234504916	2.978269997	1.71102724	3.232239387	2.977093345	3.982679722	3.362844077
HexCer 18:1;O2/18:0	2.099548875	1.715219174	1.464986321	1.64370949	2.591650003	1.773538564	1.510637483	1.784495424	2.128378101	2.109944072	2.507852143	2.301105838
HexCer 18:1;O2/20:0	16.59305621	10.7241475	9.623797172	10.52381766	9.447542077	10.49849819	13.74459004	13.91408931	8.46617933	10.92963422	11.58587472	9.836286819
HexCer 18:1;O2/22:0	21.60685631	17.03142383	19.55515541	18.39902844	24.58076384	25.04351779	20.63126264	18.13206518	23.92672239	21.44079206	26.53219405	23.66660562
HexCer 18:1;O2/24:0	5.557983944	4.249356885	5.072810216	5.084094465	6.272446492	7.092028268	5.153874982	4.77311626	7.521145726	4.873186643	8.833377395	6.811813354
HexCer 18:1;O2/24:1	14.77402899	11.51588999	13.65066748	12.90404365	18.44538706	18.047993	12.80762343	11.78828046	18.2690867	14.77129155	22.29018781	17.78125733
LPC 20:0	7.734645276	6.077676498	6.303798808	5.961032069	7.899094046	8.359383867	7.339726815	7.199115625	4.114445165	7.649090663	6.121217347	8.725259514
LPC 22:6	281.5522518	193.235265	202.082143	237.6167912	221.8603164	235.0908151	197.2052567	295.1791092	232.2678118	232.0506304	279.9418989	238.3535845
LPC 16:0	585.8563291	398.860161	470.2959527	484.5544861	474.8590252	493.747828	406.3665625	538.9535579	610.2796192	452.3220836	721.6012319	579.2462689
LPC 16:1	5.186283354	3.239885606	3.726478063	4.582139112	4.118493128	3.841731901	3.480084469	4.967118466	5.545118224	4.63454757	6.495855445	4.816108442
LPC 17:0	7.987750114	5.616575224	6.290587712	6.387774577	6.314264773	7.033256872	6.291946918	6.780864816	6.475495039	6.780276318	8.009251651	6.929483478
LPC 18:0	473.5599364	286.6291332	401.5205756	384.8623901	332.0454035	370.2832561	312.6797503	375.9560535	512.6188804	337.0183219	569.2457158	434.4895124
LPC 18:1	103.2679315	77.34735053	88.12571111	95.2482776	95.06876044	96.73555934	73.99428905	106.057715	96.1291494	93.74574685	113.8760167	111.9917851
LPC 18:2	92.78511688	64.71259196	69.74539657	77.45288367	80.27888549	71.79553382	65.07828893	104.3669037	71.72854686	81.24456816	102.6213141	94.83535001
LPC 19:0	18.62177173	13.0884556	13.83334033	13.09275501	13.62599127	15.99647068	14.49141306	15.01082307	12.73690986	14.81922328	15.58008463	14.70242371
LPC 20:1	5.396451458	4.660289459	5.139512628	4.619463144	4.858652344	5.618553495	4.105428381	5.341918877	3.419941791	4.533834222	4.749083344	5.382122515
LPC 20:3	72.48183553	34.83274661	54.62179268	55.93849471	42.09331465	41.40775543	42.62275022	56.69816947	77.00365777	38.64714843	96.4632987	56.71122098
LPC 20:4	39.37919057	25.55297514	30.98754882	40.89286383	29.1229385	32.33568065	29.12682989	49.09366337	44.6105214	30.26914761	52.70549319	36.50349259
LPC 22:5	3.908348339	3.262502966	2.940946085	3.298006837	3.491948043	3.81231572	3.159793031	4.311815805	3.832973734	3.338216343	4.721544895	3.685834922
LPC 24:0	3.2473678	2.592311683	3.047225577	2.670068155	3.329532157	3.616975858	2.926199817	2.719822655	3.367069299	3.131162704	3.175768818	3.411336579
MGDG O-26:0_19:0	14268.39546	7128.305736	6235.239253	9552.875654	13994.92235	6019.655674	8927.830589	6876.460191	11068.89629	10909.73861	24805.83284	11920.7774
MGDG O-28:0_21:2	9046.068155	4304.253217	4698.964155	5648.961842	11206.50068	5362.809312	7979.563684	4786.979943	10097.8111	10665.4843	16638.00041	8717.343187
MGDG O-28:1_21:2	10513.54774	5575.856106	6272.674358	6080.085806	13122.57572	7629.608163	10461.72287	6157.591364	10269.19642	13360.03022	18167.35099	10893.98328
OxLPC 20:2 OO	28.56506002	19.16753412	22.24653667	21.49702487	32.9867434	32.76048431	25.46346075	24.3735584	21.62305447	33.76087197	27.76210313	32.18297603
OxLPC 20:2 OOO	4.610301421	3.853404249	3.152374781	2.705392732	3.491825879	3.82263885	2.558767823	3.034515395	3.417516575	3.502791211	3.246012521	3.676620134
OxLPC 22:2 OO	23.20186571	15.95014095	19.84721761	20.19978886	28.0438918	27.20377776	21.77115821	20.07432404	18.74530592	28.7374398	23.68157068	25.20083176
OxLPC 22:2 OOO	3.812107594	2.49408369	2.197121476	1.85909442	2.397367832	2.429748947	1.755583024	2.02207288	2.500676106	2.321841698	2.142859712	2.452853946
OxLPC 24:1 Ke,OH	3.74513446	3.188949722	4.062562052	3.591542568	5.220943734	5.142008787	3.693332469	3.977552744	3.462845294	5.810921643	3.725207334	4.425606458
LPC O-16:0	10.92462446	8.734465107	9.067763768	8.500384369	10.12775311	10.28221827	8.665656385	8.553203801	10.26095958	8.802707992	9.496505626	9.871972016
LPC O-16:1	60.40023935	46.44075041	51.28584404	46.76151546	48.75721184	51.69381084	45.05530149	48.39045217	49.47069213	47.67051007	42.71715599	51.93354528
PC O-16:0_16:1	148.8302601	181.8582895	183.8480281	159.7775005	231.1745259	258.0370949	175.0563579	159.0258723	134.4241498	198.7610033	100.528966	250.2932429
PC O-16:0_20:5	1372.593017	1593.165477	1690.966356	1514.485443	2054.311154	2400.57758	1784.582607	1523.253554	1428.2998	2116.876221	1210.049683	2332.490899
PC O-18:1_20:4	119.6532005	138.5337866	136.8090274	118.1137063	172.48478	204.9677859	157.6039066	126.8466689	103.8068364	188.1082316	104.5292695	186.8232964
TG O-16:0_16:0_22:5	20.06819199	14.13112512	14.12158177	19.6114882	33.89853747	14.92773776	19.53642883	17.61832544	18.00766254	16.36963786	28.00703669	25.79342036
TG O-16:0_18:1_22:5	40.58358227	41.64329714	32.70075575	50.0215153	67.33854284	39.80686379	47.5792186	34.42797855	36.91127775	43.80510119	48.09149274	62.27560294
TG O-16:0_18:2_22:6	61.49894804	38.21555348	33.34444095	64.41621844	75.6818352	37.47755028	56.68090395	38.19168425	37.85674108	46.87269838	67.14372534	66.41343794
TG O-18:0_16:0_18:2	18.60037931	18.71280946	15.45005913	21.19584458	28.28421611	20.44137806	15.13213666	12.50367758	20.02019578	19.75698565	26.42506451	26.48313497
TG O-18:0_16:0_22:5	22.82617579	22.10508132	16.1635053	23.21257466	32.40942757	14.96348407	23.93996496	17.03858862	15.93836776	22.06741337	24.22090768	25.98178546
TG O-18:0_18:1_22:5	33.83613971	37.11583949	31.47749587	37.14774539	50.73085636	37.05061809	37.93502126	24.23521731	22.50030726	33.13478781	32.65051303	47.59371783
TG O-18:1_16:0_18:2	17.76487456	11.79333265	10.89425709	13.30289558	20.30842486	12.7089811	12.71363388	10.48801026	14.13322836	13.49552723	24.48816405	16.9019691
TG O-18:1_18:1_18:2	17.37250421	12.86006965	9.708517532	13.8586664	22.00437441	12.50714071	13.89097184	11.14623882	12.69612733	14.74356303	21.03848267	17.37203164
TG O-20:0_18:1_18:2	11.79089357	10.12883491	8.348737331	8.724178967	16.01844309	9.497825832	9.592979044	7.309218073	6.749351519	10.68987624	12.53205593	12.64815224
TG O-20:0_18:1_22:6	56.92518158	61.81840141	41.99912255	49.9342044	82.3493061	104.418755	59.57179791	30.83113681	35.08506061	62.88286827	50.10082563	109.6094422
PC P-16:0_18:2	805.0601094	993.0504632	993.034738	856.2196234	1197.057698	1264.091715	1018.004479	945.3767218	625.7888334	1254.240693	569.822993	1436.329236
PC P-16:0_22:6	5658.772606	8132.48951	7717.002683	6564.131773	11601.59637	14035.851	8475.776718	6576.159239	5086.789977	11577.05076	4321.347261	10858.72945
PC P-18:0_22:6	509.666631	673.8215828	544.981761	482.7201062	827.8217499	1006.451799	722.2406047	556.5222691	326.3434929	876.9942424	315.7492606	728.3814836
PE P-18:0_18:1	51.57785298	44.47968974	45.49750099	44.14112592	52.0891598	61.17191551	47.34466187	47.33112007	40.61119596	51.25252834	40.97049633	57.66898265
PE P-18:0_20:4	389.9529095	397.9822898	383.311317	363.7688319	387.28482	479.037212	437.1087083	351.2493383	316.6219853	418.8591131	283.0521612	499.3790204
PE P-18:1_18:2	204.4763153	224.840256	226.3748753	195.4028337	304.2930951	321.861762	230.3666073	208.302888	147.1639685	303.0971415	144.6244879	343.5605762
PE P-20:1_18:2	91.87549314	82.06117008	77.56195326	73.90788381	83.81017405	92.01880867	89.95387553	82.76046136	77.06776811	84.38679145	88.55989268	102.4056909
SM 18:0;OH/16:0	43.70729114	45.03261223	45.69465234	42.02649812	61.26533661	67.18631444	50.64520682	44.0371231	40.82109269	58.2089623	39.91964846	61.45256786
SM 18:0;OH/18:0	10.7131933	9.624981072	9.325725527	9.029105077	11.32518695	13.29356261	10.27677157	10.59094641	11.00916794	11.22363954	9.950429778	12.59861577
SM 18:0;OH/20:0	14.1073202	8.294402604	8.538111767	8.327377792	8.410509969	8.877912301	10.32517557	11.21909479	8.609585607	8.788606722	9.866295063	8.441501416
SM 18:0;OH/22:0	32.82126095	25.87522551	23.9095327	23.20625658	29.13075066	30.52499846	29.41645627	29.69546194	21.90755869	31.03827034	24.44903558	30.29149934
SM 18:0;OH/24:0	3.026799036	2.488462945	2.275695709	2.710249037	2.664456959	2.765859413	2.619053824	2.665733664	2.6919373	2.631264363	2.717510675	3.107985138
SM 18:0;O2/24:1	34.28232484	26.58862147	28.50826185	26.84598025	30.27057633	32.74288373	29.42829385	29.45232676	29.73813263	29.68333285	29.73584871	32.97863985
SM 18:1;O2/16:0	1047.694333	937.2573529	1070.710366	1009.371259	1262.769071	1399.756606	1023.548387	933.5890498	1170.753549	1061.72345	1088.815998	1288.427189
SM 18:1;O2/17:0	36.58074992	27.84997073	32.87007028	30.04321511	36.74095591	37.92722529	32.44365491	29.74835856	40.72103832	30.38667763	35.54821427	33.89637279
SM 18:1;O2/18:0	289.3204754	263.8920781	338.4505803	282.7253575	372.9864641	391.5167295	284.7139805	274.9367006	398.6494686	303.3106819	334.2039871	375.0446419
SM 18:1;O2/20:0	2047.497845	1542.639604	1537.362491	1449.24455	1536.40165	1668.185549	1754.415921	1743.029576	1662.217208	1482.515754	1791.757777	1610.330696
SM 18:1;O2/21:0	362.0628891	191.2110925	212.481598	226.6575754	199.4492658	186.3421383	232.8479725	251.7624197	262.9627679	194.883348	277.4473095	188.7516158
SM 18:1;O2/22:0	1463.435768	960.118963	1069.486057	1044.977906	1089.15805	1071.302979	1137.069476	1166.856601	1263.320355	1047.593455	1278.52892	1020.618257
SM 18:1;O2/23:0	353.2392357	212.8222985	248.8684252	239.5896926	250.2974438	235.8052364	252.052131	258.6293023	331.3832031	250.2431566	356.401115	241.4529374
SM 18:1;O2/24:0	268.3168214	177.766144	206.0511108	204.560166	218.9162376	220.4117618	206.0169736	213.0103443	287.52168	202.1357292	291.1776409	219.4908504
SM 18:1;O2/24:1	701.1194898	442.6053448	545.0898801	548.2580461	549.0523585	560.3013351	500.2109926	531.6057059	722.8272372	483.8653831	765.7114414	553.5035031
SM 32:0;O2	0.217097642	0.089121038	0.137047063	0.101170197	0.170416909	0.06328434	0.18349798	0.141028921	0.191188388	0.107940369	0.175598022	0.139350322
SM 33:1;O2	28.75696546	19.69614422	19.34741375	18.97743725	21.12986488	20.16356323	22.18796409	20.78173607	24.40399232	18.48792388	24.05980614	20.49143478
SM 34:2;O2	32.63053379	23.60601297	24.52123483	25.31140983	24.31587873	25.18930069	26.23963026	27.57478068	26.72985713	22.14999641	23.13568818	27.55516667
SM 36:2;O2	137.8214453	107.8850856	139.729224	124.3704271	133.1457742	146.7450503	120.6804785	119.0286834	132.0327275	110.3015258	93.77570751	143.3771853
SM 37:1;O2	294.2030132	232.445722	292.028155	236.6313625	293.9911767	286.2951928	272.7216089	300.7262105	290.8430682	259.4301965	283.8201714	269.2194533
SM 37:2;O2	32.34419118	22.80383245	27.45543135	26.1994418	26.03326559	29.21629186	28.58524576	26.20391083	20.43802503	25.05638787	16.54670479	25.71481858
SM 39:1;O2	367.3278212	191.2110925	212.481598	226.6575754	202.0797962	184.5832491	232.8479725	253.5785072	262.9627679	193.0986254	281.4385079	189.6312677
SM 40:2;O2	123.3578948	93.33986108	101.8582212	111.5175457	130.0967534	125.2149864	100.7715112	132.7449054	85.58939854	115.6318051	94.24949144	119.4688224
SM 41:2;O2	48.53295514	26.659025	29.9974389	35.03146959	28.81867962	26.5744675	31.25546958	34.49575738	37.25597285	26.79914024	37.5355616	27.9556256
SM 42:3;O2	257.4397037	190.5821381	235.8680903	225.0254898	215.0166709	241.6383996	213.4356122	221.0250249	291.2471573	200.024754	261.7177183	250.5783334
SM 43:2;O2	15.90011889	10.99142511	12.74713373	12.24316771	13.10893717	13.64820974	12.33519972	12.40856057	16.73239462	13.30411958	17.23013574	12.66975883
SM 44:3;O2	1.288178497	0.806034313	1.343689057	1.524030154	1.181410289	1.28221359	0.90485534	1.329510186	2.458966788	0.952995393	1.608721175	1.144846751
SPB 18:1;O2	7.610124667	6.234802004	6.803510984	6.138485087	6.970526311	9.667367214	7.211418626	6.061551597	9.293152855	8.306836942	10.42151353	9.279375961
TG 10:0_16:0_18:2	46.72174032	20.55031343	24.1651039	23.43397713	24.80760611	25.0826219	24.75363252	22.1022186	12.74261126	11.30185353	14.81747983	35.19641434
TG 12:0_16:0_18:2	124.0931092	43.23135455	61.80554142	70.11819132	48.62153723	45.37481241	51.32989295	49.69396466	53.52361752	22.18129273	47.85327968	70.68472982
TG 12:0_16:0_22:6	19.66157459	18.27493062	18.25521191	19.6460318	19.02282948	13.97197491	20.6701467	16.33060849	14.63488599	12.18779394	19.4360484	21.62248448
TG 12:0_16:1_18:2	58.82647436	22.18467184	30.62290369	32.41097299	29.11716838	26.82068332	28.41603814	24.57356044	18.54291956	11.52663925	19.85190178	40.76863618
TG 12:0_18:2_18:2	133.1755958	65.0300913	66.01495073	68.92238675	74.90384765	62.68801605	83.44955272	62.6346105	38.88160627	35.52567151	61.33804434	93.94903455
TG 12:0_18:2_18:3	33.43286144	21.63264266	19.73514053	21.72394883	20.72241099	36.7150599	26.53459949	16.70597716	16.76431269	20.92492479	17.77431255	35.19982592
TG 12:0_18:2_22:6	15.46379603	17.17051633	16.53544611	14.75625516	19.73821599	14.05822992	22.77791662	15.59345212	11.21942901	13.8869956	20.06764228	21.01528818
TG 14:0_16:0_18:1	803.3458583	197.1005615	286.6894665	387.2464434	290.8959242	209.565577	222.8889174	240.6608047	339.5091187	116.7768949	298.0682589	414.1657026
TG 14:0_16:0_18:2	933.9382675	219.0152569	330.5965936	417.5618683	336.714741	227.1110442	301.2730703	265.7268964	342.604998	125.0123832	339.9575751	463.8783281
TG 14:0_16:0_22:6	76.10423877	67.83591381	77.63709825	84.99541679	73.65507956	52.75493415	84.50861498	70.71792389	87.7200904	49.12881822	97.36744166	98.37165571
TG 14:0_16:1_18:2	276.7847681	92.34910363	148.2857721	165.4305541	122.8659054	106.5595286	110.5500045	108.9778542	128.0051013	48.8532963	112.9624875	168.6169193
TG 14:0_18:2_18:2	953.0609849	475.5854782	595.7816558	601.2127702	602.887781	536.4526931	627.0953552	458.1965417	435.6633396	273.2795318	522.0170227	814.8018547
TG 14:0_18:2_18:3	202.8287253	88.62296545	105.0784658	107.5843837	135.8440687	111.8793663	124.6375798	94.56603492	62.60688432	58.19555662	96.64153318	161.875175
TG 14:0_18:2_22:6	131.8990319	118.1633023	150.8371387	120.4143937	180.034586	131.444735	172.2092322	112.8033407	132.3305866	112.883961	176.4129519	196.9950293
TG 14:1_16:0_22:6	31.32748571	28.19980205	35.5122489	32.28413485	31.48532634	26.52683534	33.92072749	25.07378669	29.62258648	19.32979564	33.77970626	38.52205175
TG 14:2_18:2_18:2	26.36003714	20.17419296	18.48802106	18.62763812	22.56197425	19.89384121	25.0936706	15.24913468	10.41822571	13.34121832	18.51166456	24.37924981
TG 15:0_18:1_18:2	165.2927289	50.99943742	50.90509067	61.14452734	78.50195066	55.9101193	76.16379338	47.74250546	57.31907684	37.23480155	111.6233022	89.50285691
TG 15:0_18:1_22:6	25.98578931	17.10799508	18.18188127	19.19407564	23.46211448	14.74168425	25.24095851	14.1664443	21.93788798	14.56981945	37.01135556	25.02107373
TG 15:0_18:2_18:2	84.42392453	35.58838253	34.98329252	36.82524863	48.5843904	35.76409925	52.96909366	30.60754745	29.83945454	22.88640785	58.94644553	53.35031824
TG 15:0_18:2_22:6	19.74112704	15.68634853	19.44736553	15.18082438	20.94825208	16.25158024	22.25053002	13.42125579	16.33588944	13.34362767	27.61003334	21.81495529
TG 15:2_16:0_18:2	53.14118519	28.30372988	18.77317878	17.25378723	31.44075365	25.46558718	47.91986933	25.91659738	11.12557265	17.12814507	25.59217015	41.30648748
TG 15:2_18:2_18:2	17.71272083	17.1962186	10.1698801	7.174643256	27.30699244	17.42240183	31.26706409	12.84166954	6.278280664	16.52916271	23.1671346	22.45645482
TG 16:0_16:0_16:0	194.4346687	168.3707161	206.7029193	289.1894788	257.5752403	208.0351052	204.504972	199.953997	160.0400777	106.247862	143.3816868	346.4708732
TG 16:0_16:0_18:1	2290.64587	804.3456953	822.7642447	1325.973596	1235.95376	754.8743115	1077.856706	818.4898971	1147.975437	500.1028715	1338.115549	1637.540138
TG 16:0_16:0_18:2	4269.960629	1547.040656	1622.87525	2354.587763	2425.141812	1479.870323	2269.14109	1613.188485	1868.424252	968.8338922	2139.054999	3101.606338
TG 16:0_16:0_22:6	609.037628	416.7407802	390.7721003	559.3404074	602.4948854	281.1281795	688.4459359	385.4161295	643.2404859	338.8918731	834.442062	742.0035929
TG 16:0_16:1_18:2	2107.501037	491.2859122	681.8318682	897.8723536	845.1776776	546.6629154	730.5936081	600.5539059	794.5969745	318.0551835	972.197508	1070.24856
TG 16:0_16:1_22:6	291.9640608	233.1471484	270.961509	249.7856467	284.9578604	185.5832733	324.6339465	200.1040234	305.6237203	168.9224774	344.6212912	361.1256482
TG 16:0_17:1_18:1	152.8945434	49.75582585	49.12537621	57.47633657	70.40804233	59.43188649	69.43000725	46.29161137	48.22735886	35.16869213	97.04393924	82.79738856
TG 16:0_18:0_18:1	728.4059164	249.8945421	230.9500419	342.8884082	404.2660947	266.4947282	329.6800169	232.1179878	274.4722787	188.7653868	488.3127803	494.8135294
TG 16:0_18:0_22:6	248.3298173	130.3209955	128.6179	166.1441825	212.6597708	109.2539298	216.1918316	116.2571493	290.931496	118.2943297	544.8255568	229.1793579
TG 16:0_18:1_18:1	4151.185913	1888.826529	1658.415754	2712.188905	3050.767707	1694.883476	2732.106223	1717.133856	2587.87608	1325.311998	3481.472863	3627.065997
TG 16:0_18:1_18:2	7308.953699	4970.611207	4126.09311	6069.976753	7279.542741	4125.945473	7154.898078	4132.882122	5162.796661	3321.965381	6365.159799	8604.299828
TG 16:0_18:1_22:5	1250.43198	804.4346883	666.7253284	965.4021364	1270.675764	622.2952215	1112.322032	682.4141079	1174.255749	769.0832903	2260.956269	1379.974645
TG 16:0_18:1_22:6	1605.613906	1019.457817	1080.291747	1376.025757	1727.885642	816.2881415	1735.070383	912.1347311	1996.363966	929.7346051	2723.48991	1935.407624
TG 16:0_18:2_18:2	6862.665811	4636.200248	3869.937613	4829.46439	6282.066803	3734.399603	6730.689516	3679.783696	4291.448318	3059.313465	5704.910859	7415.244547
TG 16:0_18:2_22:5	1593.106811	1014.655561	982.8708623	1210.128194	1732.397473	968.4177386	1555.495821	969.5392183	1322.003165	1085.152763	2586.375199	1869.112421
TG 16:0_18:2_22:6	2142.446331	1415.022124	1685.006652	1636.952335	2294.314531	1232.395076	2510.814172	1339.417564	2321.325717	1330.301781	3215.307951	2610.301344
TG 16:0_20:5_22:6	63.28793554	64.82286039	80.84778265	60.25975136	98.54858231	72.76547577	108.7621595	60.47544561	58.48737821	72.22158576	79.47384687	113.0003275
TG 16:0_22:6_22:6	258.3859526	220.2837805	438.5412083	275.7101858	386.2984876	283.7680486	463.7204723	282.3726903	475.1943318	312.4776453	513.0901038	424.6301962
TG 16:1_18:1_24:0	116.9330915	81.07319094	58.66843957	71.09720689	158.3192149	102.30663	87.36197485	66.9122823	34.46590093	104.0152301	105.1206504	132.2516527
TG 16:1_18:2_18:2	1682.102993	927.5294772	1059.973271	1165.7894	1180.27946	919.8848512	1228.657439	881.3834621	887.7605666	602.0370249	1197.618335	1495.744547
TG 17:0_18:1_18:1	162.6131792	62.91984707	52.92853951	68.1223694	94.96741394	64.64910438	86.15269436	52.62701739	57.20108571	51.57348821	138.8340579	101.086865
TG 17:0_18:1_18:2	206.2515827	80.87620614	68.8015368	88.96970259	118.515411	79.6350212	113.3182151	64.00847901	74.17387951	61.35466033	209.0632651	127.4926887
TG 17:0_18:1_22:5	27.96544029	22.51606994	19.45254016	24.60946956	36.6298006	21.99564685	32.00210707	19.81857758	24.29995564	24.80432401	43.863802	34.50366831
TG 17:0_18:1_22:6	33.94800612	21.93691317	21.89200075	24.92269055	35.06280709	19.88134384	33.97404472	18.15184387	30.81286279	21.81572825	57.87689548	34.53563567
TG 17:0_18:2_22:6	39.87955251	25.0199984	29.66494513	27.71966941	39.03814844	22.45389933	39.89310978	20.63216218	34.9457288	24.26622037	65.65444807	38.48154233
TG 17:1_18:1_18:2	206.9106014	84.44264594	70.30739226	91.69021208	126.5439208	80.26249803	128.4166972	66.55651371	82.33962975	68.85451138	215.9211842	128.985627
TG 17:1_18:1_20:4	25.98511687	20.17092828	18.20883629	20.83129776	27.17881349	17.53766493	27.44979919	15.96900208	18.73544453	18.46497759	28.21066021	30.54241402
TG 17:1_18:2_18:2	95.15977573	50.8178713	48.72046262	55.95197822	69.09868461	44.45044275	73.92958956	39.84177957	47.80810294	38.90945492	109.3559916	72.021514
TG 17:1_18:2_22:6	25.06349582	25.59935994	32.81038736	26.44441128	35.67143793	28.02987252	33.73173243	21.26707808	25.65925777	25.58756122	39.90680105	36.3878613
TG 17:1_18:4_22:0	40.05279047	25.40965303	21.83153988	26.79214536	47.12815128	31.30022785	36.12669427	25.14240334	20.60870056	31.72218394	51.80278232	44.10589379
TG 18:0_18:0_18:1	218.084024	110.363984	96.36930761	135.3563792	188.6555064	130.6091821	156.7130562	94.84234265	101.441187	110.5447759	202.152653	207.4585735
TG 18:0_18:1_18:1	1194.084298	548.9921134	445.2736873	611.6462972	908.9122769	551.8848183	679.133671	435.0655223	511.1092724	470.4555907	1189.045761	991.9589863
TG 18:0_18:1_18:2	3884.749785	2352.782121	1786.571466	2789.118974	3856.794143	2121.115189	3268.627262	1892.096713	2672.230092	1979.275745	4460.780069	4312.474015
TG 18:0_18:1_20:1	313.7210481	206.5525224	146.3228819	201.047175	383.3548009	234.7727443	251.9000354	167.8610291	120.285342	236.4785813	330.3679483	365.6916801
TG 18:0_18:1_22:5	347.2658229	225.1531107	213.2632043	246.6695154	408.7883662	237.1791155	300.4183185	180.4584779	288.8469172	245.1264669	666.5672822	388.4219563
TG 18:0_18:1_22:6	505.1127438	268.1920822	288.3427664	330.3138921	477.3121826	249.9103759	418.1893943	217.5073723	618.2790643	258.9521414	1192.233262	448.8137995
TG 18:0_20:1_22:5	156.9444876	105.4378911	103.0163869	102.3036259	206.7975548	137.956969	137.7560972	99.00334063	76.57231917	141.2111751	191.3715597	163.9595889
TG 18:0_20:4_22:6	56.14600496	54.13780587	82.57617076	59.50627958	89.44302015	63.56124116	87.88788194	50.8169702	108.4042301	60.33227264	103.7815739	86.88975837
TG 18:1_18:1_18:2	6522.853999	5064.664585	3707.462957	5796.657966	7776.129028	4003.707148	7043.042549	3688.208009	5161.623019	3955.378398	7963.210275	8861.527736
TG 18:1_18:1_19:0	94.49588788	60.3892701	48.51259855	60.76137027	101.2738965	68.06956354	70.49151109	46.18045543	38.21855675	62.75363745	95.34601487	99.31359045
TG 18:1_18:1_20:1	897.542579	597.9968098	426.9050225	542.3203124	1078.381458	652.6505674	667.6221682	468.9129865	333.827317	629.360143	1003.135214	1039.89126
TG 18:1_18:1_22:5	901.0947081	634.1691658	590.586088	770.7870378	1183.291035	687.1647157	909.6069168	562.5965192	856.805135	822.1037873	1713.031978	1140.253539
TG 18:1_18:2_18:2	7505.281009	7489.035328	5559.500915	7494.898076	10313.9591	5806.864104	9997.626065	5161.007591	6013.216174	5780.627627	8773.671463	11975.44951
TG 18:1_18:2_19:0	156.5240355	76.30968163	56.06747753	75.60850335	123.5912923	79.09696039	101.8349307	63.22470803	59.90855989	73.90389909	182.2730476	122.0008836
TG 18:1_18:2_19:1	154.3573158	82.56288211	60.91062997	79.4838592	130.5712918	83.77452453	109.2526069	64.55985315	63.99515813	79.51349394	216.1374497	131.8212145
TG 18:1_18:2_20:1	1599.800663	1281.809901	841.1491483	1113.1622	2215.175504	1243.514987	1470.005037	1029.286492	775.0104452	1283.442544	1946.842799	2141.277711
TG 18:1_18:2_21:0	104.5917184	77.79262717	58.40552956	70.68182687	138.3111463	93.60473255	86.44636786	62.51424529	36.94342052	94.65424361	102.3373696	127.5468917
TG 18:1_18:2_21:1	79.10407813	46.94222851	37.11822765	42.46519542	81.79217127	53.56637751	60.51834934	42.77803787	26.22794667	54.54954941	83.25527043	73.96399378
TG 18:1_18:2_21:5	29.46135843	24.93388117	25.82652518	24.70542091	37.18375262	26.01910995	35.20304943	21.39590201	22.21068845	25.53973626	36.19037797	39.69010572
TG 18:1_18:2_22:1	535.5061215	440.2751933	340.319849	343.3408348	742.6451145	523.1693593	483.7141685	334.7450894	177.7589037	486.4604385	493.5760872	692.5642371
TG 18:1_18:2_22:5	1455.438863	1123.342845	1119.079369	1330.39471	1943.62612	1181.889325	1574.419124	979.4853682	1254.938581	1358.486987	2502.885931	2018.422534
TG 18:1_18:2_22:6	1974.021444	1458.313033	1839.362956	1742.857318	2781.884512	1534.795195	2597.748077	1363.26833	2456.911494	1755.250223	3654.888757	2782.825274
TG 18:1_20:1_20:1	359.2492723	274.0767435	203.1325001	222.0986415	517.5383287	331.2634035	283.8819015	215.2472119	105.9715697	330.0047266	323.3284056	447.7356438
TG 18:1_20:1_22:5	186.0501403	131.2001409	134.4459597	131.2583913	242.7699511	173.8305974	165.8018751	114.2525473	115.2461788	174.3783194	262.1202759	199.8725815
TG 18:1_20:1_22:6	192.9269019	126.6087887	139.7350959	121.3530857	264.5041278	159.3376749	180.1764215	117.2670267	128.5950748	162.5486192	304.2094415	214.9937244
TG 18:1_20:3_22:6	241.138066	181.1767202	260.2924985	234.3073775	363.8685745	239.7957798	300.6959718	194.9991287	319.7290489	281.3378842	486.7987621	339.2820138
TG 18:1_22:4_22:6	111.1321508	81.4307855	143.5974227	115.408674	183.6484747	124.0677886	140.2527956	93.99946931	176.1390856	131.9834058	224.3857781	153.1399913
TG 18:1_22:5_22:6	310.4859748	359.9124552	678.1304667	445.439849	700.8952445	623.4376985	560.1847363	410.1452122	494.6715615	628.3854077	544.2769888	654.9621427
TG 18:2_18:2_18:2	5648.585142	5654.806967	4467.025952	4703.885057	6220.375559	4297.48847	7381.754877	3754.538039	3983.019072	4083.331076	6676.472814	7775.762849
TG 18:2_18:2_20:5	370.1171329	342.4868601	356.001805	320.1775763	520.2038312	347.3786706	528.3322755	289.4581597	270.390179	337.6169961	462.9024705	576.2939565
TG 18:2_18:2_21:5	20.08002902	21.02922818	21.955231	17.20883261	25.60259703	23.92981515	27.17592438	16.43758246	13.20758505	19.94019993	21.87456004	32.67443863
TG 18:2_18:2_22:5	1329.33121	1593.799409	1666.932812	1553.586031	2216.841833	1783.581025	1944.942974	1276.352938	1191.666117	1630.540872	1980.441552	2415.178054
TG 18:2_18:2_22:6	2158.400469	2442.757744	3303.122112	2230.13531	3577.252053	2890.915799	3747.352586	2142.080354	2375.223187	2795.974368	3394.058434	3998.977106
TG 18:2_18:2_23:0	65.21235265	51.74031478	41.69044813	44.22651667	90.63578947	64.51534354	57.20134323	40.32990246	25.57190928	62.98630924	58.29253326	80.77585125
TG 18:2_18:2_24:1	162.5436331	137.8197341	135.8354258	127.5566865	265.6170499	187.9140007	160.1333267	110.7113471	75.65661362	175.5045575	175.2127857	216.9563313
TG 18:2_19:1_22:6	21.59039115	15.51136979	19.15707294	18.70841485	31.93885464	20.85444549	27.03021598	15.86466602	21.53606794	22.26561892	36.98062079	29.41973708
TG 18:2_20:1_20:2	419.0230248	298.1877063	233.1599656	257.9493075	544.491613	338.3598932	383.1389439	266.2288897	191.2897451	360.1600723	494.2822158	478.1280064
TG 18:2_20:1_22:1	182.951992	142.55359	118.8288568	118.7391252	267.1180334	176.4769539	157.462788	110.0134316	61.87429268	169.2963549	163.1458077	215.5239833
TG 18:2_20:1_22:5	272.6446762	215.574474	218.5962095	223.2344451	436.2216259	263.5836175	284.6772132	196.0893436	186.1994858	296.7064732	367.4264406	365.5651796
TG 18:2_20:1_22:6	305.7057262	208.1246804	267.0084992	211.3843447	444.4263425	280.7949191	320.1765387	212.0000839	256.7434077	301.8374188	486.9795065	368.8173622
TG 18:2_20:4_22:6	255.2489372	276.8093761	442.914042	273.5738504	520.0892789	407.4723522	469.7099142	275.4787946	323.7661666	404.9915182	432.5534625	509.5072635
TG 18:2_20:5_22:6	57.06957693	57.10652186	99.49529767	57.05755413	107.2974168	79.18498432	109.1561226	56.13335553	65.55215559	80.92616796	88.30188216	106.9241337
TG 18:2_22:1_22:6	54.40702544	35.75740523	45.1105595	33.68696892	74.3400322	53.00703898	54.30563686	37.70595338	29.78885556	50.21294029	69.8440335	57.46962434
TG 18:2_22:5_22:6	394.7709154	429.0068078	757.9584112	460.017316	990.5048082	815.9085436	733.9312099	477.1504021	441.3639769	806.3270126	566.918008	869.71157
TG 18:2_22:6_22:6	393.5574955	365.4875947	913.3847278	426.6583279	932.6941966	754.1882766	750.8597444	461.9978966	639.21188	701.9576547	741.6850073	830.467804
TG 18:3_22:6_22:6	14.26751832	12.06588019	30.63985144	14.56002481	27.95781248	22.20028023	24.67424874	16.40078234	21.51023194	21.00838499	25.64372375	25.57046456
TG 20:1_22:4_22:6	26.12394644	21.45846981	30.33175342	23.72115398	47.5701095	32.46517675	33.04041175	22.53355379	23.07332521	32.15112074	32.61152686	36.67749764
TG 20:1_22:5_22:6	34.98996585	31.11172554	51.2443086	35.87545081	74.66561955	52.31511559	50.84457899	35.97331092	34.13973936	54.22790282	44.24289174	58.33524265
TG 20:2_22:5_22:6	30.39670594	30.11651381	57.87361209	37.14008893	59.44037065	48.73823355	50.28195507	33.53912492	47.13924126	52.01771973	49.39024938	49.48785622
TG 20:3_22:5_22:6	45.75315604	48.36911331	101.3452542	59.37806347	108.3313689	103.8160867	84.55098524	61.07811041	67.48842083	101.4506084	74.83382178	92.84955116
TG 20:4_22:6_22:6	11.5261033	12.66054376	37.13555341	14.71400681	36.34179817	32.23160048	25.47734602	16.88022546	24.68994235	31.31596248	23.59303076	29.30216689
TG 22:4_22:6_22:6	18.0504688	18.67994714	54.15249104	23.49685555	50.45301568	48.73383155	35.14331016	25.46581266	34.46474995	46.29750216	28.86957708	36.65371366
TG 22:5_22:6_22:6	20.52884412	22.57748172	70.44423712	30.53560571	76.36539641	72.87739802	48.71260512	30.35309387	40.84889844	68.64146343	34.63573557	53.79670163
TG 22:6_22:6_22:6	20.51792114	17.31149814	70.72972574	25.66936114	58.50050982	55.54744301	45.69615646	30.32817559	49.08526684	50.91894087	40.9041855	45.65278625
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Formula	m/z	RT
CAR 14:0	C21H41NO4	372.3108	1.594
CAR 16:0	C23H45NO4	400.3432	2.404
CAR 18:0	C25H49NO4	428.3748	3.49
CAR 18:1	C25H47NO4	426.3591	2.635
CAR 18:2	C25H45NO4	424.3436	2.013
BMP 18:1_22:6	C46H77O10P	838.5611	5.72
BMP 18:2_22:6	C46H75O10P	836.546	5.279
BMP 22:6_22:6	C50H75O10P	884.5464	5.079
Cer 17:1;O2/16:0	C33H65NO3	524.5037	7.47
Cer 18:0;O2/18:1	C36H71NO3	566.5507	8.38
Cer 18:0;(OH)2/24:0	C42H85NO3	652.6602	11.62
Cer 18:0;O2/24:1	C42H83NO3	650.6446	10.82
Cer 18:1;O2/16:0	C34H67NO3	538.5194	7.92
Cer 18:1;O2/17:0	C35H69NO3	552.535	8.39
Cer 18:1;O2/18:0	C36H71NO3	566.5507	8.86
Cer 18:1;O2/18:1	C36H69NO3	564.5351	8.07
Cer 18:1;O2/19:0	C37H73NO3	580.5676	9.29
Cer 18:1;O2/20:0	C38H75NO3	594.582	9.74
Cer 18:1;O2/21:0	C39H77NO3	608.5995	10.16
Cer 18:1;O2/22:0	C40H79NO3	622.6133	10.56
Cer 18:1;O2/22:1	C40H77NO3	620.5976	9.73
Cer 18:1;O2/22:2	C40H75NO3	618.5819	9
Cer 18:1;O2/23:0	C41H81NO3	636.6289	10.98
Cer 18:1;O2/24:0	C42H83NO3	650.6446	11.36
Cer 18:1;O2/24:1	C42H81NO3	648.629	10.54
Cer 18:1;O2/24:2	C42H79NO3	646.6132	9.85
Cer 18:2;O2/16:0	C34H65NO3	536.5037	7.14
Cer 18:2;O2/18:0	C36H69NO3	564.535	8.06
Cer 18:2;O2/20:0	C38H73NO3	592.5663	8.98
Cer 18:2;O2/22:0	C40H77NO3	620.5976	9.86
Cer 18:2;O2/23:0	C41H79NO3	634.6133	10.28
Cer 18:2;O2/24:0	C42H81NO3	648.6289	10.54
Cer 18:2;O2/24:1	C42H79NO3	646.6149	9.83
Cer 18:2;O2/24:2	C42H77NO3	644.5976	9.13
Cer 41:2;O2	C41H79NO3	634.6132	10.14
CL 32:2_36:3	C77H140O17P2	1416.9941	12.442
CL 14:0_18:2_18:2_18:2	C77H138O17P2	1414.9799	12.035
CL 34:1_34:1	C77H146O17P2	1423.0404	13.64
CL 16:0_18:1_16:0_18:2	C77H144O17P2	1421.0254	13.314
CL 34:1_36:2	C79H148O17P2	1449.0561	13.692
CL 34:1_36:3	C79H146O17P2	1447.0414	13.32
CL 34:1_38:6	C81H144O17P2	1469.0231	13.021
CL 34:2_34:2	C77H142O17P2	1419.0091	12.936
CL 16:0_18:2_18:1_18:2	C79H144O17P2	1445.026	12.948
CL 34:2_36:4	C79H142O17P2	1443.0102	12.522
CL 16:1_18:2_18:2_18:2	C79H140O17P2	1440.995	12.08
CL 34:3_40:8	C83H140O17P2	1488.9946	11.81
CL 36:1_36:3	C81H150O17P2	1475.0707	13.725
CL 36:2_36:3	C81H148O17P2	1473.0564	13.354
CL 36:3_36:3	C81H146O17P2	1471.0425	12.966
CL 18:1_18:2_18:2_18:2	C81H144O17P2	1469.0269	12.578
CL 36:3_36:6	C81H140O17P2	1464.9932	12.109
CL 36:3_38:3	C83H150O17P2	1499.0718	13.404
CL 36:3_38:4	C83H148O17P2	1497.0578	13.034
CL 36:3_38:6	C83H144O17P2	1493.0246	12.677
CL 36:3_40:7	C85H146O17P2	1519.0413	12.712
CL 18:1_18:2_18:2_22:6	C85H144O17P2	1517.027	12.309
CL 36:3_42:7	C87H150O17P2	1547.072	13.186
CL 18:2_18:2_18:2_18:2	C81H142O17P2	1467.0113	12.169
CL 18:2_18:2_18:2_20:2	C83H146O17P2	1495.042	12.65
CL 18:2_18:2_18:2_22:6	C85H142O17P2	1515.0113	11.888
CL 38:3_40:8	C87H148O17P2	1545.0564	12.784
CL 38:4_38:4	C85H150O17P2	1523.0706	13.096
CL 38:4_40:8	C87H146O17P2	1543.0421	12.367
CL 38:5_40:8	C87H144O17P2	1541.0263	12.014
CL 38:7_40:8	C87H140O17P2	1536.9935	11.542
CL 40:6_40:8	C89H146O17P2	1567.0405	12.202
CL 40:7_40:8	C89H144O17P2	1565.0253	12.018
CL 40:8_40:8	C89H142O17P2	1563.0112	11.611
CL 40:8_40:9	C89H140O17P2	1560.9931	11.221
CL 40:8_42:10	C91H142O17P2	1587.0077	11.506
CL 40:8_42:8	C91H146O17P2	1591.0406	12.086
CL 40:8_42:9	C91H144O17P2	1589.0252	11.723
CL 40:8_44:12	C93H142O17P2	1611.0088	11.303
Co Q10	C59H90O4	880.7212	12.711
Co Q8	C49H74O4	744.5947	10.529
Co Q9	C54H82O4	812.6585	11.702
DG 16:0_22:5	C41H70O5	660.5584	8.774
DG 16:0_22:6	C41H68O5	658.5423	8.457
DG 18:0_20:4	C41H72O5	662.5736	9.629
DG 18:0_22:5	C43H74O5	688.5919	9.653
DG 18:0_22:6	C43H72O5	686.5737	9.343
DG 18:1_18:1	C39H72O5	638.574	9.678
DG 18:1_18:2	C39H70O5	636.5585	8.99
DG 18:1_22:5	C43H72O5	686.5733	8.854
DG 18:1_22:6	C43H70O5	684.5579	8.544
DG 18:2_18:2	C39H68O5	634.5425	8.287
DG 18:2_20:2	C41H72O5	662.5735	9.138
DG 18:2_22:5	C43H70O5	684.5582	8.154
DG 18:2_22:6	C43H68O5	682.5423	7.844
DG 20:3_22:6	C45H70O5	708.558	8.064
DG 22:4_22:6	C47H72O5	734.5729	8.28
DG 22:6_22:6	C47H68O5	730.5426	7.391
PC P-22:6/22:6	C52H80NO7P	864.5927	6.115
HBMP 16:0_18:2_18:1		1028.7915	10.967
Hex2Cer 18:1;O2/20:0	C50H95NO13	918.6876	8.54
Hex2Cer 18:1;O2/22:0	C52H99NO13	946.7193	9.39
Hex2Cer 18:1;O2/24:0	C54H103NO13	974.7507	10.2
Hex2Cer 18:1;O2/24:1	C54H101NO13	972.732	9.37
HexCer 18:0;OH/18:0	C42H83NO8	730.6197	8.4
HexCer 18:0;OH/22:0	C46H91NO8	786.6823	10.04
HexCer 18:1;O2/16:0	C40H77NO8	700.5728	7.10
HexCer 18:1;O2/18:0	C42H81NO8	728.6041	8
HexCer 18:1;O2/20:0	C44H85NO8	756.6353	8.89
HexCer 18:1;O2/22:0	C46H89NO8	784.6666	9.74
HexCer 18:1;O2/24:0	C48H93NO8	812.6979	10.54
HexCer 18:1;O2/24:1	C48H91NO8	810.6823	9.71
LPC 20:0	C28H58NO7P	552.4038	4.202
LPC 22:6	C30H50NO7P	590.323	1.646
LPC 16:0	C24H50NO7P	496.3414	2.274
LPC 16:1	C24H48NO7P	494.3252	1.663
LPC 17:0	C25H52NO7P	510.3564	2.808
LPC 18:0	C26H54NO7P	524.373	3.413
LPC 18:1	C26H52NO7P	522.357	2.511
LPC 18:2	C26H50NO7P	520.3411	1.874
LPC 19:0	C27H56NO7P	538.3883	3.87
LPC 20:1	C28H56NO7P	550.3882	3.589
LPC 20:3	C28H52NO7P	546.3547	3.415
LPC 20:4	C28H50NO7P	544.341	1.832
LPC 22:5	C30H52NO7P	570.3565	1.97
LPC 24:0	C32H66NO7P	608.4665	5.709
MGDG O-26:0_19:0	C54H106O9	921.7745	12.838
MGDG O-28:0_21:2	C58H110O9	973.8038	13.202
MGDG O-28:1_21:2	C58H108O9	971.7861	12.699
OxLPC 20:2 OO		580.3623	2.519
OxLPC 20:2 OOO		596.3578	2.302
OxLPC 22:2 OO		608.3938	3.614
OxLPC 22:2 OOO		624.3887	3.413
OxLPC 24:1 Ke,OH		636.4245	3.807
LPC O-16:0	C24H52NO6P	482.3617	2.66
LPC O-16:1	C24H50NO6P	480.3461	2.583
PC O-16:0_16:1	C40H80NO7P	718.5762	8.057
PC O-16:0_20:5	C44H80NO7P	766.5735	7.316
PC O-18:1_20:4	C46H84NO7P	794.6073	8.202
TG O-16:0_16:0_22:5	C57H102O5	884.8045	14.426
TG O-16:0_18:1_22:5	C59H104O5	910.8166	14.425
TG O-16:0_18:2_22:6	C59H100O5	906.7924	13.903
TG O-18:0_16:0_18:2	C55H104O5	862.8242	14.657
TG O-18:0_16:0_22:5	C59H106O5	912.8348	14.618
TG O-18:0_18:1_22:5	C61H108O5	938.8515	14.623
TG O-18:1_16:0_18:2	C55H102O5	860.8084	14.5
TG O-18:1_18:1_18:2	C57H104O5	886.8229	14.526
TG O-20:0_18:1_18:2	C59H110O5	916.8717	14.781
TG O-20:0_18:1_22:6	C63H110O5	964.8685	14.654
PC P-16:0_18:2	C42H80NO7P	742.5764	7.47
PC P-16:0_22:6	C46H80NO7P	790.5689	7.079
PC P-18:0_22:6	C48H84NO7P	818.6085	7.946
PE P-18:0_18:1	C41H80NO7P	730.5765	9.304
PE P-18:0_20:4	C43H78NO7P	752.5608	8.575
PE P-18:1_18:2	C41H76NO7P	726.5451	7.87
PE P-20:1_18:2	C43H80NO7P	754.5766	8.644
SM 18:0;OH/16:0	C39H81N2O6P	705.5905	7.04
SM 18:0;OH/18:0	C41H85N2O6P	733.6218	7.95
SM 18:0;OH/20:0	C43H89N2O6P	761.6531	8.86
SM 18:0;OH/22:0	C45H93N2O6P	789.6844	9.7
SM 18:0;OH/24:0	C47H97N2O6P	817.7157	10.54
SM 18:0;O2/24:1	C47H95N2O6P	815.7001	9.7
SM 18:1;O2/16:0	C39H79N2O6P	703.5749	6.68
SM 18:1;O2/17:0	C40H81N2O6P	717.5906	7.16
SM 18:1;O2/18:0	C41H83N2O6P	731.6062	7.61
SM 18:1;O2/20:0	C43H87N2O6P	759.6375	8.52
SM 18:1;O2/21:0	C44H89N2O6P	773.6531	8.96
SM 18:1;O2/22:0	C45H91N2O6P	787.6688	9.38
SM 18:1;O2/23:0	C46H93N2O6P	801.6844	9.83
SM 18:1;O2/24:0	C47H95N2O6P	815.7001	10.23
SM 18:1;O2/24:1	C47H93N2O6P	813.6845	9.37
SM 32:0;O2	C37H77N2O6P	677.5594	6.14
SM 33:1;O2	C38H77N2O6P	689.5592	6.27
SM 34:2;O2	C39H77N2O6P	701.5596	5.98
SM 36:2;O2	C41H81N2O6P	729.5905	6.87
SM 37:1;O2	C42H85N2O6P	745.622	8.06
SM 37:2;O2	C42H83N2O6P	743.6079	7.3
SM 39:1;O2	C44H89N2O6P	773.6559	8.96
SM 40:2;O2	C45H89N2O6P	785.6531	8.51
SM 41:2;O2	C46H91N2O6P	799.6687	8.94
SM 42:3;O2	C47H91N2O6P	811.6687	8.65
SM 43:2;O2	C48H95N2O6P	827.7006	9.76
SM 44:3;O2	C49H95N2O6P	839.6978	9.47
SPB 18:1;O2	C18H37NO2	300.2901	1.966
TG 10:0_16:0_18:2	C47H86O6	764.6783	12.231
TG 12:0_16:0_18:2	C49H90O6	792.7099	12.843
TG 12:0_16:0_22:6	C53H90O6	840.7106	12.45
TG 12:0_16:1_18:2	C49H88O6	790.6938	12.289
TG 12:0_18:2_18:2	C51H90O6	816.7098	12.379
TG 12:0_18:2_18:3	C51H88O6	814.685	11.96
TG 12:0_18:2_22:6	C55H90O6	864.7102	11.955
TG 14:0_16:0_18:1	C51H96O6	822.7576	13.893
TG 14:0_16:0_18:2	C51H94O6	820.7419	13.419
TG 14:0_16:0_22:6	C55H94O6	868.7415	13.057
TG 14:0_16:1_18:2	C51H92O6	818.7258	12.903
TG 14:0_18:2_18:2	C53H94O6	844.742	12.974
TG 14:0_18:2_18:3	C53H92O6	842.7252	12.511
TG 14:0_18:2_22:6	C57H94O6	892.7415	12.579
TG 14:1_16:0_22:6	C55H92O6	866.7256	12.495
TG 14:2_18:2_18:2	C53H90O6	840.7105	12.084
TG 15:0_18:1_18:2	C54H98O6	860.7727	13.727
TG 15:0_18:1_22:6	C58H98O6	908.7732	13.368
TG 15:0_18:2_18:2	C54H96O6	858.7572	13.264
TG 15:0_18:2_22:6	C58H96O6	906.7573	12.891
TG 15:2_16:0_18:2	C52H92O6	830.7253	12.668
TG 15:2_18:2_18:2	C54H92O6	854.7256	12.194
TG 16:0_16:0_16:0	C51H98O6	824.7729	14.343
TG 16:0_16:0_18:1	C53H100O6	850.7891	14.352
TG 16:0_16:0_18:2	C53H98O6	848.7736	13.96
TG 16:0_16:0_22:6	C57H98O6	896.7737	13.616
TG 16:0_16:1_18:2	C53H96O6	846.7578	13.458
TG 16:0_16:1_22:6	C57H96O6	894.7574	13.082
TG 16:0_17:1_18:1	C54H100O6	862.7883	14.188
TG 16:0_18:0_18:1	C55H104O6	878.8205	14.583
TG 16:0_18:0_22:6	C59H102O6	924.8044	14.137
TG 16:0_18:1_18:1	C55H102O6	876.8049	14.366
TG 16:0_18:1_18:2	C55H100O6	874.7892	13.984
TG 16:0_18:1_22:5	C59H102O6	924.805	13.828
TG 16:0_18:1_22:6	C59H100O6	922.7893	13.641
TG 16:0_18:2_18:2	C55H98O6	872.7737	13.538
TG 16:0_18:2_22:5	C59H100O6	922.7873	13.269
TG 16:0_18:2_22:6	C59H98O6	920.7738	13.174
TG 16:0_20:5_22:6	C61H96O6	942.7574	12.584
TG 16:0_22:6_22:6	C63H98O6	968.7738	12.784
TG 16:1_18:1_24:0	C61H114O6	960.8984	14.815
TG 16:1_18:2_18:2	C55H96O6	870.7579	13.034
TG 17:0_18:1_18:1	C56H104O6	890.8197	14.492
TG 17:0_18:1_18:2	C56H102O6	888.804	14.229
TG 17:0_18:1_22:5	C60H104O6	938.819	14.05
TG 17:0_18:1_22:6	C60H102O6	936.804	13.892
TG 17:0_18:2_22:6	C60H100O6	934.7885	13.43
TG 17:1_18:1_18:2	C56H100O6	886.7884	13.783
TG 17:1_18:1_20:4	C58H100O6	910.7884	13.592
TG 17:1_18:2_18:2	C56H98O6	884.7722	13.309
TG 17:1_18:2_22:6	C60H98O6	932.7728	12.934
TG 17:1_18:4_22:0	C60H106O6	940.8261	14.305
TG 18:0_18:0_18:1	C57H108O6	906.8511	14.715
TG 18:0_18:1_18:1	C57H106O6	904.8364	14.588
TG 18:0_18:1_18:2	C57H104O6	902.8206	14.388
TG 18:0_18:1_20:1	C59H110O6	932.8671	14.715
TG 18:0_18:1_22:5	C61H106O6	952.8357	14.3
TG 18:0_18:1_22:6	C61H104O6	950.8206	14.15
TG 18:0_20:1_22:5	C63H110O6	980.8653	14.499
TG 18:0_20:4_22:6	C63H102O6	972.8038	13.569
TG 18:1_18:1_18:2	C57H102O6	900.8051	14.009
TG 18:1_18:1_19:0	C58H108O6	918.8506	14.66
TG 18:1_18:1_20:1	C59H108O6	930.852	14.594
TG 18:1_18:1_22:5	C61H104O6	950.8205	13.844
TG 18:1_18:2_18:2	C57H100O6	898.7892	13.562
TG 18:1_18:2_19:0	C58H106O6	916.8353	14.509
TG 18:1_18:2_19:1	C58H104O6	914.8191	14.259
TG 18:1_18:2_20:1	C59H106O6	928.8361	14.4
TG 18:1_18:2_21:0	C60H110O6	944.8668	14.657
TG 18:1_18:2_21:1	C60H108O6	942.8502	14.525
TG 18:1_18:2_21:5	C60H100O6	934.7883	13.17
TG 18:1_18:2_22:1	C61H110O6	956.8676	14.605
TG 18:1_18:2_22:5	C61H102O6	948.8047	13.366
TG 18:1_18:2_22:6	C61H100O6	946.7897	13.202
TG 18:1_20:1_20:1	C61H112O6	958.8829	14.716
TG 18:1_20:1_22:5	C63H108O6	978.8479	14.229
TG 18:1_20:1_22:6	C63H106O6	976.8356	14.143
TG 18:1_20:3_22:6	C63H102O6	972.8045	13.31
TG 18:1_22:4_22:6	C65H104O6	998.8189	13.417
TG 18:1_22:5_22:6	C65H102O6	996.805	13.018
TG 18:2_18:2_18:2	C57H98O6	896.7738	13.095
TG 18:2_18:2_20:5	C59H96O6	918.7575	12.499
TG 18:2_18:2_21:5	C60H98O6	932.7732	12.693
TG 18:2_18:2_22:5	C61H100O6	946.7894	12.935
TG 18:2_18:2_22:6	C61H98O6	944.7739	12.705
TG 18:2_18:2_23:0	C62H112O6	970.8812	14.666
TG 18:2_18:2_24:1	C63H112O6	982.8826	14.625
TG 18:2_19:1_22:6	C62H102O6	960.8023	13.466
TG 18:2_20:1_20:2	C61H108O6	954.851	14.44
TG 18:2_20:1_22:1	C63H114O6	984.8982	14.722
TG 18:2_20:1_22:5	C63H106O6	976.8358	13.89
TG 18:2_20:1_22:6	C63H104O6	974.8204	13.706
TG 18:2_20:4_22:6	C63H98O6	968.7734	12.542
TG 18:2_20:5_22:6	C63H96O6	966.7571	12.092
TG 18:2_22:1_22:6	C65H108O6	1002.851	14.187
TG 18:2_22:5_22:6	C65H100O6	994.7894	12.54
TG 18:2_22:6_22:6	C65H98O6	992.7738	12.312
TG 18:3_22:6_22:6	C65H96O6	990.7571	11.848
TG 20:1_22:4_22:6	C67H108O6	1026.85	13.913
TG 20:1_22:5_22:6	C67H106O6	1024.8352	13.535
TG 20:2_22:5_22:6	C67H104O6	1022.8202	13.145
TG 20:3_22:5_22:6	C67H102O6	1020.8042	12.671
TG 20:4_22:6_22:6	C67H98O6	1016.7729	12.126
TG 22:4_22:6_22:6	C69H102O6	1044.8044	12.585
TG 22:5_22:6_22:6	C69H100O6	1042.7885	12.135
TG 22:6_22:6_22:6	C69H98O6	1040.7727	11.901
METABOLITES_END
#END